4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine

C9H15F3N2OS — CID 135998324

IUPAC4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N\CCOCC(F)(F)F)N1
InChIInChI=1S/C9H15F3N2OS/c1-2-7-5-16-8(14-7)13-3-4-15-6-9(10,11)12/h7H,2-6H2,1H3,(H,13,14)
InChIKeyCMRVAONASRQJDQ-UHFFFAOYSA-N
MW256.29 g/mol
LogP2.04
Rot. Bonds5

About 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine

4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine (PubChem CID 135998324) has the molecular formula C9H15F3N2OS and a molecular weight of 256.29 g/mol. Its IUPAC name is 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine
PubChem CID135998324
Molecular FormulaC9H15F3N2OS
Molecular Weight256.29 g/mol
Exact Mass256.09
IUPAC Name4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N\CCOCC(F)(F)F)N1
InChIInChI=1S/C9H15F3N2OS/c1-2-7-5-16-8(14-7)13-3-4-15-6-9(10,11)12/h7H,2-6H2,1H3,(H,13,14)
InChIKeyCMRVAONASRQJDQ-UHFFFAOYSA-N
XLogP2.04
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 135452621
5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63827565
N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 63827745
N-[2-(2,2-difluoroethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105916867
N-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 105916874
N-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 105916893
5-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 116241544
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine
CID 135998322
4,4-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine
CID 135998325
4-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine
CID 136148437
4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine
CID 136148438
4-ethyl-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine
CID 136267094

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine?
The IUPAC name of 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine (CID 135998324) is 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine is CCC1CS/C(=N\CCOCC(F)(F)F)N1.
What is the InChIKey of 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine?
The InChIKey is CMRVAONASRQJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2OS/c1-2-7-5-16-8(14-7)13-3-4-15-6-9(10,11)12/h7H,2-6H2,1H3,(H,13,14).
What are the key properties of 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine?
4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine has a molecular weight of 256.29 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135998324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).